Compound ID | 572

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LT-00786

Class: Glycopeptide

Spectrum of activity: Gram-negative
Details of activity: In mouse models, through intravenous injections, LT-00786 (5.58 log10 CFU/mL) demonstrated greater efficacy than both televancin (3.75 log10 CFU/mL) and vancomycin ( 0.68 log10 CFU/mL) in reducing S. aureus after 48hrs.
Institute where first reported: BioMarin Pharmaceutical, USA
Year first mentioned: 2010
Highest developmental phase: Preclinical
Development status: Inactive
Chemical structure(s):
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Molecular weight: 1815.78
Iso. SMILES: CCCCCCC1=CC=C(C=C1)S(=O)(=O)NCCCCCCNC(=O)OC2=CC3=C(C(=C2)O)C4=C(C=CC(=C4)[C@@H]5C(=O)N[C@@H]([C@@H](C6=CC(=C(C=C6)OC7=C(C8=CC(=C7)[C@H](C(=O)N5)NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C9=CC(=C(O8)C=C9)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O)O)O[C@H]%11C[C@]([C@@H]([C@@H](O%11)C)O)(C)N)Cl)O)C(=O)N[C@H]3C(=O)O)O
InChI Key: JGVPPPJAPWINFA-RRXOCARTSA-N
Can. SMILES: CCCCCCC1=CC=C(C=C1)S(=O)(=O)NCCCCCCNC(=O)OC2=CC(=C3C4=CC(=CC=C4O)[C@@H]5C(=O)N[C@@H]([C@@H](C6=CC=C(C(=C6)Cl)OC7=C(C8=CC(=C7)[C@H](C(=O)N5)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]([C@@H](C9=CC=C(C(=C9)Cl)O8)O)NC(=O)[C@@H](CC(C)C)NC)O[C@H]%10[C@@H]([C@H]([C@@H]([C@@H](CO)O%10)O)O)O[C@H]%11C[C@@](C)([C@@H]([C@H](C)O%11)O)N)O)C(=O)N[C@H](C3=C2)C(=O)O)O
InChI: InChI=1S/C85H105Cl2N11O27S/c1-7-8-9-12-15-41-16-21-47(22-17-41)126(117,118)92-27-14-11-10-13-26-91-84(116)120-46-34-49-63(55(101)35-46)48-29-42(18-23-54(48)100)64-78(110)98-68(81(113)96-66(49)82(114)115)70(104)44-20-25-57(51(87)31-44)122-59-33-45-32-58(73(59)125-83-74(72(106)71(105)60(38-99)123-83)124-62-37-85(5,89)75(107)40(4)119-62)121-56-24-19-43(30-50(56)86)69(103)67(97-76(108)52(90-6)28-39(2)3)80(112)93-53(36-61(88)102)77(109)94-65(45)79(111)95-64/h16-25,29-35,39-40,52-53,60,62,64-72,74-75,83,90,92,99-101,103-107H,7-15,26-28,36-38,89H2,1-6H3,(H2,88,102)(H,91,116)(H,93,112)(H,94,109)(H,95,111)(H,96,113)(H,97,108)(H,98,110)(H,114,115)/t40-,52+,53-,60+,62-,64+,65+,66+,67+,68-,69+,70+,71+,72-,74+,75+,83-,85-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/52918391
Citation:

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